(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol

C16H25NO — CID 10490739

IUPAC(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
SMILESCCC[C@H]1CCCCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-8-15-11-6-7-12-17(15)16(13-18)14-9-4-3-5-10-14/h3-5,9-10,15-16,18H,2,6-8,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyAZACJMYSLMUYOE-JKSUJKDBSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds5

About (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol

(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol (PubChem CID 10490739) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
PubChem CID10490739
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
SMILESCCC[C@H]1CCCCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-8-15-11-6-7-12-17(15)16(13-18)14-9-4-3-5-10-14/h3-5,9-10,15-16,18H,2,6-8,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyAZACJMYSLMUYOE-JKSUJKDBSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
tert-butyl N-[[1-(2-hydroxy-1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 23450123
tert-butyl N-[[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl]methyl]carbamate
CID 59571671
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
(2R)-2-[(2R,3R)-3-(hydroxymethyl)-2-methylpiperidin-1-yl]-2-phenylethanol
CID 143702380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol (CID 10490739) is (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol is CCC[C@H]1CCCCN1[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol?
The InChIKey is AZACJMYSLMUYOE-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-8-15-11-6-7-12-17(15)16(13-18)14-9-4-3-5-10-14/h3-5,9-10,15-16,18H,2,6-8,11-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol?
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol is sourced from PubChem (CID 10490739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).